SCHEMBL4911977

SCHEMBL4911977

CNc1cc(C(=O)N2CCC(C)Nc3ccccc32)ccc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.40
GHSR Q92847 7/20 0.38
MAP3K11 Q16584 1/20 0.37
MAPK14 Q16539 2/20 0.37
HSD11B1 P28845 2/20 0.36
FASN P49327 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
AR P10275 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4912268 0.92 OXTR (0.39) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4904155 0.92 OXTR (0.39) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4914441 0.92 OXTR (0.39) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4914201 0.92 OXTR (0.39) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4912278 0.91 OXTR (0.38) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4910783 0.90 S1PR1 (0.42) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4904698 0.90 S1PR1 (0.42) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4914233 0.90 OXTR (0.38) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL4911982 0.90 OXTR (0.38) OXTRGHSRMAP3K11MAPK14HSD11B1
SCHEMBL14258933 0.90 OXTR (0.42) OXTRGHSRMAP3K11MAPK14HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 OXTR 908/4885GHSR 405/4885MAP3K11 2846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.